| SpectraBase Compound ID | CcMIjAlVOUp |
|---|---|
| InChI | InChI=1S/C22H32N10O17P4/c23-17-11-19(27-3-25-17)31(5-29-11)21-15(35)13(33)9(47-21)1-45-50(37,38)7-52(41,42)49-53(43,44)8-51(39,40)46-2-10-14(34)16(36)22(48-10)32-6-30-12-18(24)26-4-28-20(12)32/h3-6,9-10,13-16,21-22,33-36H,1-2,7-8H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,23,25,27)(H2,24,26,28)/t9-,10-,13-,14-,15-,16-,21-,22-/m1/s1 |
| InChIKey | HHAKBDBCUAPUJT-LAMCKDNKSA-N |
| Mol Weight | 832.4 g/mol |
| Molecular Formula | C22H32N10O17P4 |
| Exact Mass | 832.089738 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BdvHGRPURvU |
|---|---|
| Name | BIS(5'-ADENOSYLOXYPHOSPHORYLMETHYL)PYROPHOSPHATE |
| Comments | , 31P-{1H}, SCALE INVERTED! NAME DEFINED (S.T.) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C22H32N10O17P4 |
| InChI | InChI=1S/C22H32N10O17P4/c23-17-11-19(27-3-25-17)31(5-29-11)21-15(35)13(33)9(47-21)1-45-50(37,38)7-52(41,42)49-53(43,44)8-51(39,40)46-2-10-14(34)16(36)22(48-10)32-6-30-12-18(24)26-4-28-20(12)32/h3-6,9-10,13-16,21-22,33-36H,1-2,7-8H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,23,25,27)(H2,24,26,28)/t9-,10-,13-,14-,15-,16-,21-,22-/m1/s1 |
| InChIKey | HHAKBDBCUAPUJT-LAMCKDNKSA-N |
| Instrument Name | Varian XL-100 |
| Literature Reference | N.B.TARUSOVA, V.V.SHUMYANTSEVA, A.S.KRYLOV, M.YA.KARPEISKY, R.M.KHOMUTOV (1983)Bioorganich.Khim.(Russ. Lang.): v.9, N6, 838-845. |
| NMR Standard | -H3PO4 85% |
| Observed nucleus | 31P |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | not reported |